1-[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-piperidinyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C24H33FN3O2+ MolecularWeight: 414.536123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=C(C=CC(=C4)OC)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=C(C=CC(=C4)OC)F

InChI

InChI=1S/C24H32FN3O2/c1-29-22-7-5-20(6-8-22)27-12-14-28(15-13-27)21-4-3-11-26(18-21)17-19-16-23(30-2)9-10-24(19)25/h5-10,16,21H,3-4,11-15,17-18H2,1-2H3/p+1/t21-/m0/s1